Quantum dissipative dynamics: A numerically exact methodology

被引:155
作者
Makri, N [1 ]
机构
[1] Univ Illinois, Sch Chem Sci, Urbana, IL 61801 USA
关键词
D O I
10.1021/jp980359y
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A fully quantum mechanical methodology for simulating the time evolution of low-dimensional systems in harmonic dissipative environments is presented. The key features of the method are the numerical construction of accurate propagators based on physically motivated reference Hamiltonians and the decomposition of the path integral into a series of shorter time operations, which leads to an iterative algorithm. Illustrative applications to barrier-crossing events and biological electron transfer an presented.
引用
收藏
页码:4414 / 4427
页数:14
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